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BDBM48611 2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)acetamide::MLS000115025::N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-thiophen-2-yl-acetamide::N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-ethanamide::N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide::SMR000014090::cid_646403

SMILES: COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC

InChI Key: InChIKey=QSAKKBGLYQHWAK-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 48611   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens)
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a 5.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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n/an/a 8.49E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair